methyl 3-(2-quinazolin-4-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 3-(2-quinazolin-4-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 3-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate CAS Name: 3-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate Traditional Name: 3-[[2-(quinazolin-4-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C18H15N3O3S/c1-24-18(23)12-5-4-6-13(9-12)21-16(22)10-25-17-14-7-2-3-8-15(14)19-11-20-17/h2-9,11H,10H2,1H3,(H,21,22)